# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1994--Nakano-A-Kalia-R-K-Vashishta-P--Si-O # implementation = 1994--Nakano-A--Si-O--LAMMPS--ipr1 # composition = OSi3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 7.554813292e+02 nan nan 0.98 6.576725479e+02 nan nan 1.00 5.741434321e+02 nan nan 1.02 5.040105053e+02 nan nan 1.04 4.464670218e+02 nan nan 1.06 4.002843000e+02 7.356002634e+02 nan 1.08 3.631441407e+02 6.496316343e+02 7.708508981e+02 1.10 3.317098345e+02 5.728348705e+02 6.924839569e+02 1.12 3.035328247e+02 5.044753718e+02 6.257756504e+02 1.14 2.778878999e+02 4.440398219e+02 5.663606172e+02 1.16 2.544286571e+02 3.911809773e+02 5.123933459e+02 1.18 2.329392385e+02 3.456557098e+02 4.631778800e+02 1.20 2.132603518e+02 3.072176502e+02 4.182059032e+02 1.22 1.952558006e+02 2.755066391e+02 3.771116594e+02 1.24 1.788640015e+02 2.499307811e+02 3.396385566e+02 1.26 1.640451406e+02 2.296275890e+02 3.056049151e+02 1.28 1.508124469e+02 2.136076735e+02 2.749065665e+02 1.30 1.391946060e+02 2.006556673e+02 2.474868958e+02 1.32 1.291976423e+02 1.894456123e+02 2.233105364e+02 1.34 1.207561618e+02 1.792153917e+02 2.023617219e+02 1.36 1.136827045e+02 1.697561312e+02 1.846029830e+02 1.38 1.076285242e+02 1.609721584e+02 1.699367174e+02 1.40 1.021756626e+02 1.527808764e+02 1.581209767e+02 1.42 9.705518449e+01 1.451156147e+02 1.486892644e+02 1.44 9.220445908e+01 1.379220465e+02 1.409106858e+02 1.46 8.760257650e+01 1.311485278e+02 1.340200121e+02 1.48 8.323115008e+01 1.247480424e+02 1.276230653e+02 1.50 7.907413772e+01 1.186861615e+02 1.216319069e+02 1.52 7.510060441e+01 1.129291715e+02 1.160088245e+02 1.54 7.129600060e+01 1.074364596e+02 1.107161476e+02 1.56 6.764826093e+01 1.021874744e+02 1.057119656e+02 1.58 6.414993075e+01 9.716582742e+01 1.009721754e+02 1.60 6.079372324e+01 9.235618800e+01 9.647245467e+01 1.62 5.756962710e+01 8.773971553e+01 9.217962130e+01 1.64 5.446833583e+01 8.329729880e+01 8.807762287e+01 1.66 5.148499531e+01 7.902013920e+01 8.415395185e+01 1.68 4.862170862e+01 7.490259143e+01 8.039441927e+01 1.70 4.587675105e+01 7.093727246e+01 7.678736778e+01 1.72 4.324968809e+01 6.711490723e+01 7.332491223e+01 1.74 4.074062652e+01 6.343362701e+01 7.000026188e+01 1.76 3.835014442e+01 5.989271610e+01 6.679796249e+01 1.78 3.607921831e+01 5.649231751e+01 6.370520288e+01 1.80 3.392435737e+01 5.323333967e+01 6.071847776e+01 1.82 3.187721002e+01 5.011736164e+01 5.783494767e+01 1.84 2.994119379e+01 4.714617415e+01 5.505196974e+01 1.86 2.811418689e+01 4.431779714e+01 5.236268692e+01 1.88 2.639696021e+01 4.163392672e+01 4.976450234e+01 1.90 2.479138559e+01 3.909786564e+01 4.725688015e+01 1.92 2.329884439e+01 3.671288941e+01 4.483967503e+01 1.94 2.192002495e+01 3.448202101e+01 4.251309135e+01 1.96 2.065254031e+01 3.240343859e+01 4.027656188e+01 1.98 1.949025821e+01 3.046927709e+01 3.812848652e+01 2.00 1.843048567e+01 2.868007572e+01 3.606989254e+01 2.02 1.746771869e+01 2.703509520e+01 3.410207036e+01 2.04 1.659008579e+01 2.553148583e+01 3.222642443e+01 2.06 1.579197471e+01 2.416383427e+01 3.044441124e+01 2.08 1.506829581e+01 2.292378344e+01 2.875745475e+01 2.10 1.440887748e+01 2.179986375e+01 2.716274394e+01 2.12 1.380292439e+01 2.077777897e+01 2.565828222e+01 2.14 1.323993030e+01 1.984107129e+01 2.424513070e+01 2.16 1.271064242e+01 1.897157579e+01 2.292392768e+01 2.18 1.220788991e+01 1.815692254e+01 2.169476183e+01 2.20 1.172696261e+01 1.738976914e+01 2.055703838e+01 2.22 1.126533161e+01 1.666542722e+01 1.950934433e+01 2.24 1.082185135e+01 1.598254184e+01 1.854932196e+01 2.26 1.039594131e+01 1.533964469e+01 1.767259397e+01 2.28 9.987153044e+00 1.473488973e+01 1.687216904e+01 2.30 9.595062897e+00 1.416605088e+01 1.614238365e+01 2.32 9.219261603e+00 1.363055236e+01 1.547667624e+01 2.34 8.859353320e+00 1.312553945e+01 1.486765980e+01 2.36 8.514118342e+00 1.264799582e+01 1.430745860e+01 2.38 8.181110205e+00 1.219490606e+01 1.378817378e+01 2.40 7.859948162e+00 1.176242480e+01 1.330243734e+01 2.42 7.551817173e+00 1.134677850e+01 1.284396380e+01 2.44 7.257971982e+00 1.094612203e+01 1.240796140e+01 2.46 6.978076322e+00 1.055918948e+01 1.199125538e+01 2.48 6.710372049e+00 1.018520461e+01 1.159067813e+01 2.50 6.453249687e+00 9.823708824e+00 1.120408749e+01 2.52 6.206473539e+00 9.474387941e+00 1.083105323e+01 2.54 5.969814453e+00 9.136971198e+00 1.047125596e+01 2.56 5.743049569e+00 8.811199950e+00 1.012439835e+01 2.58 5.525962081e+00 8.496823167e+00 9.790192810e+00 2.60 5.318341010e+00 8.193596916e+00 9.468360578e+00 2.62 5.119980996e+00 7.901284038e+00 9.158631222e+00 2.64 4.930682101e+00 7.619653862e+00 8.860742263e+00 2.66 4.750249622e+00 7.348481928e+00 8.574438797e+00 2.68 4.578493913e+00 7.087549745e+00 8.299473156e+00 2.70 4.415230220e+00 6.836644550e+00 8.035604589e+00 2.72 4.260278519e+00 6.595559098e+00 7.782598973e+00 2.74 4.113463368e+00 6.364091455e+00 7.540228537e+00 2.76 3.974386526e+00 6.141955411e+00 7.307817140e+00 2.78 3.841534239e+00 5.928428778e+00 7.082454881e+00 2.80 3.714557881e+00 5.723250388e+00 6.863559426e+00 2.82 3.593340675e+00 5.526253354e+00 6.651009487e+00 2.84 3.477768536e+00 5.337274842e+00 6.444686564e+00 2.86 3.367730001e+00 5.156155944e+00 6.244474845e+00 2.88 3.263116159e+00 4.982594936e+00 6.050261118e+00 2.90 3.163820584e+00 4.815003137e+00 5.861934690e+00 2.92 3.069739273e+00 4.652901108e+00 5.679387308e+00 2.94 2.980770501e+00 4.496185715e+00 5.502513088e+00 2.96 2.894845193e+00 4.344756143e+00 5.331208441e+00 2.98 2.810003556e+00 4.198513830e+00 5.165372016e+00 3.00 2.726235514e+00 4.057362404e+00 5.004904628e+00 3.02 2.643530807e+00 3.921207621e+00 4.849709210e+00 3.04 2.561879008e+00 3.789957305e+00 4.699690747e+00 3.06 2.481368087e+00 3.663521298e+00 4.554756230e+00 3.08 2.402684478e+00 3.541811398e+00 4.414814600e+00 3.10 2.325936129e+00 3.424741317e+00 4.279776700e+00 3.12 2.251091831e+00 3.312226625e+00 4.149555229e+00 3.14 2.178120883e+00 3.204184702e+00 4.024064695e+00 3.16 2.106993085e+00 3.100534698e+00 3.903221370e+00 3.18 2.037674943e+00 3.001197483e+00 3.786901081e+00 3.20 1.970040014e+00 2.906095606e+00 3.673940546e+00 3.22 1.904019327e+00 2.815153253e+00 3.563809608e+00 3.24 1.839587741e+00 2.728296209e+00 3.456461967e+00 3.26 1.776720501e+00 2.645451817e+00 3.351852186e+00 3.28 1.715393232e+00 2.566548939e+00 3.249935664e+00 3.30 1.655581942e+00 2.491517923e+00 3.150668626e+00 3.32 1.597263011e+00 2.420290566e+00 3.054008106e+00 3.34 1.540413196e+00 2.352800077e+00 2.959911925e+00 3.36 1.485009624e+00 2.288981047e+00 2.868338681e+00 3.38 1.431029790e+00 2.228336593e+00 2.779247731e+00 3.40 1.378451549e+00 2.169029232e+00 2.692599177e+00 3.42 1.327253121e+00 2.110846876e+00 2.608353852e+00 3.44 1.277413078e+00 2.053775133e+00 2.526473303e+00 3.46 1.228910345e+00 1.997799730e+00 2.446919781e+00 3.48 1.181724195e+00 1.942906520e+00 2.369656222e+00 3.50 1.135834243e+00 1.889081480e+00 2.294646241e+00 3.52 1.091220446e+00 1.836310724e+00 2.221854111e+00 3.54 1.047863092e+00 1.784580497e+00 2.151244756e+00 3.56 1.005742800e+00 1.733877185e+00 2.082783737e+00 3.58 9.648405167e-01 1.684187314e+00 2.016437236e+00 3.60 9.251375065e-01 1.635497551e+00 1.952172051e+00 3.62 8.866153518e-01 1.587794711e+00 1.889955577e+00 3.64 8.492559460e-01 1.541065753e+00 1.829755799e+00 3.66 8.130414897e-01 1.495297787e+00 1.771541280e+00 3.68 7.779544853e-01 1.450478069e+00 1.715281148e+00 3.70 7.439777330e-01 1.406594006e+00 1.660945086e+00 3.72 7.110943258e-01 1.363633157e+00 1.608503321e+00 3.74 6.792876448e-01 1.321583231e+00 1.557926616e+00 3.76 6.485413547e-01 1.280432089e+00 1.509186255e+00 3.78 6.188393990e-01 1.240167742e+00 1.462254038e+00 3.80 5.901659958e-01 1.200778356e+00 1.417102266e+00 3.82 5.625056328e-01 1.162252245e+00 1.373703734e+00 3.84 5.358430629e-01 1.124577875e+00 1.332031724e+00 3.86 5.101632999e-01 1.087743864e+00 1.292059989e+00 3.88 4.854516138e-01 1.051738979e+00 1.253762750e+00 3.90 4.616935266e-01 1.016552135e+00 1.216979255e+00 3.92 4.388748078e-01 9.821723991e-01 1.181010355e+00 3.94 4.169814701e-01 9.485889822e-01 1.145752484e+00 3.96 3.959997655e-01 9.157912442e-01 1.111196635e+00 3.98 3.759161803e-01 8.837686899e-01 1.077333903e+00 4.00 3.567174318e-01 8.525109690e-01 1.044155495e+00 4.02 3.383904639e-01 8.220078745e-01 1.011652723e+00 4.04 3.209224426e-01 7.922493413e-01 9.798170054e-01 4.06 3.043007528e-01 7.632254455e-01 9.486398674e-01 4.08 2.885129940e-01 7.349264028e-01 9.181129406e-01 4.10 2.735469760e-01 7.073425668e-01 8.882279622e-01 4.12 2.593907160e-01 6.804644281e-01 8.589767744e-01 4.14 2.460324341e-01 6.542826125e-01 8.303513242e-01 4.16 2.334605500e-01 6.287878798e-01 8.023436625e-01 4.18 2.216636790e-01 6.039711222e-01 7.749459434e-01 4.20 2.106306289e-01 5.798233626e-01 7.481504238e-01 4.22 2.003503961e-01 5.563357533e-01 7.219494622e-01 4.24 1.908121624e-01 5.334995745e-01 6.963355184e-01 4.26 1.820052913e-01 5.113062325e-01 6.713011520e-01 4.28 1.739193251e-01 4.897472582e-01 6.468390222e-01 4.30 1.665439809e-01 4.688143057e-01 6.229418864e-01 4.32 1.598691484e-01 4.484991505e-01 5.996025996e-01 4.34 1.538848856e-01 4.287936880e-01 5.768141132e-01 4.36 1.485814167e-01 4.096899320e-01 5.545694743e-01 4.38 1.439491282e-01 3.911800128e-01 5.328618244e-01 4.40 1.399785666e-01 3.732561761e-01 5.116843985e-01 4.42 1.366604349e-01 3.559107809e-01 4.910305244e-01 4.44 1.339855901e-01 3.391362984e-01 4.708936210e-01 4.46 1.319450400e-01 3.229253101e-01 4.512671980e-01 4.48 1.305299407e-01 3.072705062e-01 4.321448542e-01 4.50 1.296415910e-01 2.921646845e-01 4.135202768e-01 4.52 1.286483673e-01 2.776007482e-01 3.953872406e-01 4.54 1.274328099e-01 2.635717050e-01 3.777396061e-01 4.56 1.259986159e-01 2.500706651e-01 3.605713192e-01 4.58 1.243494020e-01 2.370908399e-01 3.438764099e-01 4.60 1.224887063e-01 2.246255405e-01 3.276489910e-01 4.62 1.204199911e-01 2.126681763e-01 3.118832576e-01 4.64 1.181466447e-01 2.012122533e-01 2.965734851e-01 4.66 1.156719833e-01 1.902513728e-01 2.817140292e-01 4.68 1.129992528e-01 1.797792298e-01 2.672993241e-01 4.70 1.101316314e-01 1.697896120e-01 2.533238817e-01 4.72 1.070722306e-01 1.602763979e-01 2.397822904e-01 4.74 1.038240975e-01 1.512335557e-01 2.266692145e-01 4.76 1.003902161e-01 1.426551416e-01 2.139793926e-01 4.78 9.677350949e-02 1.344717579e-01 2.017076368e-01 4.80 9.297684088e-02 1.265658878e-01 1.898488318e-01 4.82 8.900301550e-02 1.189319557e-01 1.783979336e-01 4.84 8.485478199e-02 1.115666459e-01 1.673499689e-01 4.86 8.053483383e-02 1.044666892e-01 1.567000337e-01 4.88 7.604581082e-02 9.762886170e-02 1.464432926e-01 4.90 7.139030037e-02 9.104998492e-02 1.365749774e-01 4.92 6.657103105e-02 8.472692448e-02 1.270903867e-01 4.94 6.178273049e-02 7.865658978e-02 1.179848847e-01 4.96 5.719364315e-02 7.283593328e-02 1.092538999e-01 4.98 5.280116668e-02 6.726194987e-02 1.008929248e-01 5.00 4.860274124e-02 6.193167629e-02 9.289751444e-02 5.02 4.459584868e-02 5.684219048e-02 8.526328572e-02 5.04 4.077801174e-02 5.199061098e-02 7.798591647e-02 5.06 3.714679318e-02 4.737409635e-02 7.106114452e-02 5.08 3.369979505e-02 4.298984456e-02 6.448476684e-02 5.10 3.043465786e-02 3.883509241e-02 5.825263862e-02 5.12 2.734905986e-02 3.490711497e-02 5.236067246e-02 5.14 2.444071628e-02 3.120322498e-02 4.680483747e-02 5.16 2.170737865e-02 2.772077230e-02 4.158115846e-02 5.18 1.914683403e-02 2.445714339e-02 3.668571509e-02 5.20 1.675690438e-02 2.140976071e-02 3.211464107e-02 5.22 1.453544586e-02 1.857608220e-02 2.786412331e-02 5.24 1.248034819e-02 1.595360077e-02 2.393040116e-02 5.26 1.058953398e-02 1.353984374e-02 2.030976562e-02 5.28 8.860958144e-03 1.133237236e-02 1.699855854e-02 5.30 7.292607250e-03 9.328781246e-03 1.399317187e-02 5.32 5.882498941e-03 7.526697942e-03 1.129004691e-02 5.34 4.628681346e-03 5.923782377e-03 8.885673565e-03 5.36 3.529232506e-03 4.517726394e-03 6.776589592e-03 5.38 2.582259814e-03 3.306253269e-03 4.959379904e-03 5.40 1.785899471e-03 2.287117232e-03 3.430675847e-03 5.42 1.138315948e-03 1.458102999e-03 2.187154499e-03 5.44 6.377014642e-04 8.170253188e-04 1.225537978e-03 5.46 2.822754759e-04 3.617285117e-04 5.425927675e-04 5.48 7.028417487e-05 9.008602654e-05 1.351290398e-04 5.50 -2.664535259e-16 -7.536749003e-16 -1.805222638e-15 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00